General
Preferred name
Esomeprazole Magnesium
Synonyms
(-)-Omeprazole magnesium ()
(S)-Omeprazole magnesium ()
NEXIUM ()
(-)-Omeprazole magnesium(S)-Omeprazole magnesium ()
H199/18 Magnesium Trihydrate ()
Nexium 24hr ()
Esomeprazole magnesium hydrate ()
Esomeprazole (as magnesium) ()
Esomeprazole magnesium trihydrate ()
P&D ID
PD056876
CAS
161973-10-0
217087-09-7
Tags
prodrug
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
First approval
2001
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
712.2
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
6
Aromatic Ring Count
6
cLogP
4.68
TPSA
150.82
Fraction CSP3
0.29
Chiral centers
2.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Target
H+/K+-ATPase
ATP4A, ATP4B
ATPase,Proton Pump
MOA
ATPase inhibitor
Proton Pump inhibitor
Indication
gastroesophageal reflux disease (GERD), heartburn
Source data
